Basic information
- CAS
67675-13-2- Standard SMILES
CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO- InChIKey
ZIOZYRSDNLNNNJ-UHFFFAOYSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Overview
Arachidonic acid omega-9 hydroperoxide has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 12-Hydroperoxy-5,8,10,14-eicosatetraenoic acid
- IUPAC
- 12-hydroperoxyicosa-5,8,10,14-tetraenoic acid
- English name
- 12-HPETE
- Molecular formula
- C20H32O4
- Molecular weight
- 336.47
Names & synonyms
12-Oohete67675-13-2omega-9 Hpaaomega-9-Hydroperoxyarachidonic acid12-HpeteDTXSID20125004412-Hydroperoxy-5,8,10,14-eicosatetraenoic acidDTXSID50349638RefChem:7819612-hydroperoxy-5,8,10,14-icosatetraenoic acidDTXCID90300708DTXCID501067666
Show more names
5,8,10,14-Eicosatetraenoic acid, 12-hydroperoxy-
Arachidonic acid omega-9 hydroperoxide12-hydroperoxyicosa-5,8,10,14-tetraenoic acid(?)12-HpETE12-L-Hydroperoxy-5,8,10,14-eicosatetraenoic acid(? currency)12-Hpete12-Hydroperoxy-5,8,10,14-eicosatetraenoic acid,SCHEMBL6798288(S-(E,E,E))-12-Hydroperoxy-5,8,10,14-eicosatetraenoic acid
Database identifiers
- CAS
67675-13-2- PubChem CID
- 1415
- DTXSID
DTXSID201250044
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 518 · 518.0±50.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 1 TBG3L3CL9 · 1TBG3L3CL9
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs used to cause constriction of the blood vessels.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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